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Lambros, Eleftherios
61  Ergebnisse:
Personensuche X
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1

A Many-Body Perspective of Nuclear Quantum Effects in Aqueo..:

Lambros, Eleftherios ; Fetherolf, Jonathan H. ; Hammes-Schiffer, Sharon.
The Journal of Physical Chemistry Letters.  15 (2024)  15 - p. 4070-4075 , 2024
Link: https://doi.org/10.1021/..
 
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2

Nuclear–Electronic Orbital QM/MM Approach: Geometry Optimiz..:

Chow, Mathew ; Lambros, Eleftherios ; Li, Xiaosong.
Journal of Chemical Theory and Computation.  19 (2023)  13 - p. 3839-3848 , 2023
Link: https://doi.org/10.1021/..
 
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3

Exploring Locality in Molecular Dirac-Coulomb-Breit Calcula..:

Liao, Can ; Lambros, Eleftherios ; Sun, Qiming..
Journal of Chemical Theory and Computation.  , 2023
Link: https://doi.org/10.1021/..
 
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4

Assessing Implicit and Explicit Polarizable Solvation Model..:

Lambros, Eleftherios ; Link, Benjamin ; Chow, Mathew...
The Journal of Physical Chemistry A.  127 (2023)  44 - p. 9322-9333 , 2023
Link: https://doi.org/10.1021/..
 
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5

Solvent Induced Proton Polarization within the Nuclear−Elec..:

Lambros, Eleftherios ; Link, Benjamin ; Chow, Mathew..
The Journal of Physical Chemistry Letters.  14 (2023)  12 - p. 2990-2995 , 2023
Link: https://doi.org/10.1021/..
 
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6

Anomalies and Local Structure of Liquid Water from Boiling ..:

Gartner III, Thomas E. ; Hunter, Kelly M. ; Lambros, Eleftherios...
The Journal of Physical Chemistry Letters.  13 (2022)  16 - p. 3652-3658 , 2022
Link: https://doi.org/10.1021/..
 
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7

Density functional theory of water with the machine-learned..:

Palos, Etienne ; Lambros, Eleftherios ; Dasgupta, Saswata.
The Journal of Chemical Physics.  156 (2022)  16 - p. , 2022
Link: https://doi.org/10.1063/..
 
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8

Assessing the Interplay between Functional-Driven and Densi..:

Palos, Etienne ; Lambros, Eleftherios ; Swee, Steven...
Journal of Chemical Theory and Computation.  18 (2022)  6 - p. 3410-3426 , 2022
Link: https://doi.org/10.1021/..
 
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9

Highly Accurate Many-Body Potentials for Simulations of N2O..:

Cruzeiro, Vinícius Wilian D. ; Lambros, Eleftherios ; Riera, Marc...
Journal of Chemical Theory and Computation.  17 (2021)  7 - p. 3931-3945 , 2021
Link: https://doi.org/10.1021/..
 
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10

General Many-Body Framework for Data-Driven Potentials with..:

Lambros, Eleftherios ; Dasgupta, Saswata ; Palos, Etienne...
Journal of Chemical Theory and Computation.  17 (2021)  9 - p. 5635-5650 , 2021
Link: https://doi.org/10.1021/..
 
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11

Assessing the Accuracy of the SCAN Functional for Water thr..:

Lambros, Eleftherios ; Hu, Jie ; Paesani, Francesco
Journal of Chemical Theory and Computation.  17 (2021)  6 - p. 3739-3749 , 2021
Link: https://doi.org/10.1021/..
 
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12

Elevating density functional theory to chemical accuracy fo..:

Dasgupta, Saswata ; Lambros, Eleftherios ; Perdew, John P..
Nature Communications.  12 (2021)  1 - p. , 2021
Link: https://doi.org/10.1038/..
 
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13

How good are polarizable and flexible models for water: Ins..:

Lambros, Eleftherios ; Paesani, Francesco
The Journal of Chemical Physics.  153 (2020)  6 - p. , 2020
Link: https://doi.org/10.1063/..
 
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14

A Many-Body, Fully Polarizable Approach to QM/MM Simulation:

Lambros, Eleftherios ; Lipparini, Filippo ; Cisneros, Gerardo Andrés.
Journal of Chemical Theory and Computation.  16 (2020)  12 - p. 7462-7472 , 2020
Link: https://doi.org/10.1021/..
 
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15

Low-order many-body interactions determine the local struct..:

Riera, Marc ; Lambros, Eleftherios ; Nguyen, Thuong T...
Chemical Science.  10 (2019)  35 - p. 8211-8218 , 2019
Link: https://doi.org/10.1039/..
 
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